Materials Data on NiSe2 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1196097· OSTI ID:1196097

The Materials Project

NiSe2 is pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Ni4+ is bonded to six equivalent Se2- atoms to form corner-sharing NiSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Ni–Se bond lengths are 2.46 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ni4+ atoms.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1196097
• Report Number(s): mp-20901
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NiSe2
Ni-Se